MCULE-5339506556-0
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 33 USD | 90 | 23 working days | Get Quote |
5 mg | 54 USD | 90 | 23 working days | Get Quote |
10 mg | 68 USD | 90 | 23 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
Name | File |
---|---|
SDF | MCULE-5339506556-0.sdf |
SMILES | MCULE-5339506556-0.smiles |
Standard InChI | MCULE-5339506556-0.inchi |
InChIKey | MCULE-5339506556-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867313216 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-436476967 | Alinda | Building Blocks | 95 | As is | in stock |
P-851828124 | AmBeed | On request | N/A | As is | by synthesis |
P-590995383 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-619932828 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-569194826 | Eximed | In-stock screening compounds | 90 | As is | 6.32 g |
P-569433877 | Eximed | Building Block Catalog | 95 | As is | 6.32 g |
P-888750961 | Eximed | In-stock screening compounds | 90 | As is | 3 g |
P-580005302 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502981465 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-852535671 | Matrix Scientific | All | N/A | As is | in stock |
P-895671857 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-26440097 | Otava | In-House Stock Library | 90 | As is | 6.32 g |
P-617693670 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 6.32 g |
P-856065784 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 6.32 g |
P-19820132 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-855326710 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 272.299 |
logP | 1.8553 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 73.4 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 78.9345 |
Atoms | 36 |
Rings | 3 |
Heavy atoms | 20 |
Hydrogen atoms | 16 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |